相关论文: Computing the dipole polarizability of 48Ca with i…
A new state specific correlation correction to configuration interaction singles (CIS) excitation energies is preseted using coupled cluster perturbation theory (CCPT). General expressions for CIS-CCPT are derived and expanded explicitly to…
The molecular polarizability describes the tendency of a molecule to deform or polarize in response to an applied electric field. As such, this quantity governs key intra- and inter-molecular interactions such as induction and dispersion,…
The effects of ground-state correlations on the magnetic dipole excitations in $^{40}$Ca are studied using an extended random phase approximation (ERPA) derived from the time-dependent density-matrix theory. Comparison is made with other…
The standard and renormalized coupled cluster methods with singles, doubles, and noniterative triples and their generalizations to excited states, based on the equation of motion coupled cluster approach, are applied to the He-4 and O-16…
An implementation of the coupled-cluster single- and double excitations (CCSD) method on two-dimensional quantum dots is presented. Advantages and limitations are studied through comparison with other high accuracy approaches for two to…
Some present day results for few-nucleon bound state, two-nucleon correlation functions and scattering observables are briefly reviewed. The old idea of the Coulomb sum rule as a way to extract the pp correlation function is reconsidered.…
Polarizability is a key response property of physical and chemical systems, which has an impact on intermolecular interactions, spectroscopic observables, and vacuum polarization. The calculation of polarizability for quantum systems…
Hyperfine-structure constants of odd Ra$^{+}$ due to the interactions of nuclear magnetic dipole, electric quadrupole, and magnetic octupole moments with the electrons are investigated in the framework of relativistic coupled-cluster method…
We combine the electron attachment (EA) and ionization potential (IP) equation-of-motion (EOM) coupled-cluster (CC) approaches with the CC($P$;$Q$) formalism. The resulting methodologies are used to describe the electronic states of several…
We report the magnetic dipole and electric quadrupole hyperfine coupling constants of 6 P_{3/2} state of ^{133} Cs(I= {7/2}) obtained from the relativistic coupled cluster (RCC) method. To our knowledge, no prior electric quadrupole…
In this work, we derive working equations for the Linear Response pair Coupled Cluster Doubles (LR-pCCD) ansatz and its extension to singles (S), LR-pCCD+S. These methods allow us to compute electronic excitation energies and transition…
We investigate the parity ($\mathcal{P}$) and time-reversal ($\mathcal{T}$) symmetry violating effects in the CdH molecule and perform the relativistic coupled-cluster calculation of the molecular parameters- $E_\text{eff}$, $W_\text{s}$…
The low-lying n(=3,4,5)d $^2D_{5/2}$ states alkaline earth ions are of vital importance in a number of different physical applications. The hyperfine structure constants of these states are characterized by unusually strong electron…
The electronic and vibrational contributions to the static dipole polarizability of C70 fullerene are determined using the finite-field method within the density functional formalism. Large polarized Gaussian basis sets augmented with…
Starting from a set of different two- and three-nucleon interactions from chiral effective field theory, we use the importance-truncated no-core shell model for ab initio calculations of excitation energies as well as electric quadrupole…
The dipole excitations for calcium and zirconium isotopes are studied within the fully self-consistent Hartree-Fock mean field incorporated with the renormalized random-phase approximation (RRPA) using the Skyrme interaction SLy5. The RRPA…
We construct a new Skyrme interaction Sk$\chi$m$^*$ by fitting the equation of state and nucleon effective masses in asymmetric nuclear matter from chiral two- and three-body forces as well as the binding energies of finite nuclei.…
In this work, we revisited the idea of using the coupled-cluster ground state formalism to target excited states. Our main focus was targeting doubly excited states and double core hole states. Typical equation-of-motion (EOM) approaches…
We evaluate the polarizabilities of the 5p_{1/2}, 6s, 6p_{1/2}, and 6p_{3/2} states of In using two different high-precision relativistic methods: linearized coupled-cluster approach where single, double and partial triple excitations of…
We investigate the efficacy of boosting the nonlinear-optical response by using novel systems such as those in an excited state or with a degenerate ground state. By applying the Three Level Ansatz (TLA) and using the Thomas-Reiche-Kuhn…